ChemicalBook--->CAS DataBase List--->2392-68-9

2392-68-9

2392-68-9 Structure

2392-68-9 Structure
IdentificationMore
[Name]

3-CHLOROPHENYL ISOTHIOCYANATE
[CAS]

2392-68-9
[Synonyms]

3-CHLOROPHENYL ISOTHIOCYANATE
M-CHLOROPHENYL ISOTHIOCYANATE
TIMTEC-BB SBB006588
1-Chloro-3-isothiocyanatobenzene
Benzene, 1-chloro-3-isothiocyanato-
Isothiocyanic acid, 3-chlorophenyl ester
Isothiocyanic acid, m-chlorophenyl ester
isothiocyanicacid,3-chlorophenylester
isothiocyanicacid,m-chlorophenylester
[EINECS(EC#)]

627-851-6
[Molecular Formula]

C7H4ClNS
[MDL Number]

MFCD00004805
[Molecular Weight]

169.63
[MOL File]

2392-68-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Boiling point ]

249-250 °C
[density ]

1.292
[refractive index ]

1.658-1.66
[Fp ]

>110°C
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

liquid
[Specific Gravity]

1.292
[Water Solubility ]

33.93mg/L(25 ºC)
[Sensitive ]

Moisture Sensitive
[BRN ]

636856
[InChI]

InChI=1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
[InChIKey]

WGXCKFMVBAOIFH-UHFFFAOYSA-N
[SMILES]

C1(Cl)=CC=CC(N=C=S)=C1
[CAS DataBase Reference]

2392-68-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,Xn
[Risk Statements ]

R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

NX8474500
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

3-Chlorophenyl isothiocyanate has been used in the synthesis of:
  • 2-[(3-chlorophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-i]pyrimidin-5-one
  • (S)-N-[3-{N-(3-chlorophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide
Spectrum DetailBack Directory
[Spectrum Detail]

3-CHLOROPHENYL ISOTHIOCYANATE(2392-68-9)MS
3-CHLOROPHENYL ISOTHIOCYANATE(2392-68-9)1HNMR
3-CHLOROPHENYL ISOTHIOCYANATE(2392-68-9)13CNMR
3-CHLOROPHENYL ISOTHIOCYANATE(2392-68-9)IR1
3-CHLOROPHENYL ISOTHIOCYANATE(2392-68-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chlorophenylisothiocyanate, 98%(2392-68-9)
[Alfa Aesar]

3-Chlorophenyl isothiocyanate, 97%(2392-68-9)
[Sigma Aldrich]

2392-68-9(sigmaaldrich)
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